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. 2021 May 12;12(6):1011–1016. doi: 10.1021/acsmedchemlett.1c00162

Table 1. Cheminformatics Analysis (ROCS).

compound reference compound shape Tanimoto color Tanimoto Tanimoto combination
navitoclax navitoclax 1 1 2
navitoclax A-1155463 0.222 0.119 0.341
navitoclax A-1331852 0.389 0.108 0.497
A-1331852 A-1155463 0.378 0.169 0.546
A-1293102 A-1155463 0.389 0.091 0.480
A-1293102 A-1331852 0.344 0.122 0.467
A-1293102 navitoclax 0.461 0.442 0.904